Information card for entry 7215638

Structure parameters

• Formula: C20 H29 I N2 O
• Calculated formula: C20 H29 I N2 O
• SMILES: [I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CCC)CCC)cc1.O
• Title of publication: Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores
• Authors of publication: Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 48
• Pages of publication: 9163
• a: 15.0256 ± 0.0012 Å
• b: 8.8242 ± 0.001 Å
• c: 17.4227 ± 0.0018 Å
• α: 90°
• β: 115.336 ± 0.006°
• γ: 90°
• Cell volume: 2087.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No